V002-0184 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate

V002-0184 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate
V002-0184 Screening compound: methyl 4-{[1-(4-chlorophenyl)-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0184
methyl 4-{[1-(4-chlorophenyl)-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V002-0184

Molecular Formula

C27H27Cl2N3O4 (C27 H27 Cl2 N3 O4)

Compound Name

methyl 4-{[1-(4-chlorophenyl)-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate

IUPAC name

methyl 4-{[1-(4-chlorophenyl)-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]ethoxy]methyl}benzoate

SMILES

COC(c1ccc(COC(CN(CC2)CCN2C(c(cc2)cnc2Cl)=O)c(cc2)ccc2Cl)cc1)=O

InChI

InChI=1S/C27H27Cl2N3O4/c1-35-27(34)21-4-2-19(3-5-21)18-36-24(20-6-9-23(28)10-7-20)17-31-12-14-32(15-13-31)26(33)22-8-11-25(29)30-16-22/h2-11,16,24H,12-15,17-18H2,1H3/t24-/m0/s1

InChI Key

MLBRUMQJGCHLPZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19953377

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

528.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.021

Distribution Coefficient, logD

4.018

Water Solubility, LogSw

-4.70

Polar Surface Area

57.486

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V002-0184 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V002-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0184?
Check Price and Availability of V002-0184, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0184
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V002-0184 available by request